BDBM5270 4-(N-Acetylamino) -3- (4- heptyloxy)benzoic acid::4-acetamido-3-(heptan-4-yloxy)benzoic acid::Benzoic Acid Inhibitor 9

SMILES: CCCC(CCC)Oc1cc(ccc1NC(C)=O)C(O)=O

InChI Key: InChIKey=HNAPUQSUYYUWHX-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 5270   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuraminidase B (Influenza B virus (B/Lee/40))	BDBM5270 (4-(N-Acetylamino) -3- (4- heptyloxy)benzoic acid |...) Show SMILES CCCC(CCC)Oc1cc(ccc1NC(C)=O)C(O)=O Show InChI InChI=1S/C16H23NO4/c1-4-6-13(7-5-2)21-15-10-12(16(19)20)8-9-14(15)17-11(3)18/h8-10,13H,4-7H2,1-3H3,(H,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	6.5	37
University of Alabama at Birmingham					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem Lett 9: 1901-6 (1999) Article DOI: 10.1016/s0960-894x(99)00318-2 BindingDB Entry DOI: 10.7270/Q2T72FN4
					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (N9))	BDBM5270 (4-(N-Acetylamino) -3- (4- heptyloxy)benzoic acid |...) Show SMILES CCCC(CCC)Oc1cc(ccc1NC(C)=O)C(O)=O Show InChI InChI=1S/C16H23NO4/c1-4-6-13(7-5-2)21-15-10-12(16(19)20)8-9-14(15)17-11(3)18/h8-10,13H,4-7H2,1-3H3,(H,17,18)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	6.5	37
University of Alabama at Birmingham					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem 7: 2487-97 (1999) Article DOI: 10.1016/s0968-0896(99)00197-2 BindingDB Entry DOI: 10.7270/Q2Z036CV
					More data for this Ligand-Target Pair